SCHEMBL4907303

SCHEMBL4907303

N#Cc1c(Cl)nc(NC2CC2)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
ADORA1 P30542 7/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADORA2A P29274 2/20 0.37
CCR6 P51684 1/20 0.37
ACHE P22303 1/20 0.37
MYC P01106 1/20 0.37
WDR5 P61964 1/20 0.37
GABBR2 O75899 3/20 0.37
GABBR1 Q9UBS5 3/20 0.37
KDM1A O60341 1/20 0.37
PIM1 P11309 1/20 0.37
ADORA2B P29275 1/20 0.36
KIF11 P52732 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4899212 0.86 KDM1A (0.47) CTSSCTSKADORA1KMT2AMEN1
SCHEMBL4909542 0.86 CTSS (0.47) CTSSCTSKADORA1ADORA2ACCR6
SCHEMBL4906201 0.84 KMT2A (0.55) ADORA1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL4898439 0.81 KDM1A (0.52) CTSSCTSKADORA1KMT2ACYP1A2
SCHEMBL4906222 0.80 ALDH1A1 (0.45) ADORA1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL4907249 0.79 KMT2A (0.41) CTSSCTSKADORA1KMT2AMEN1
SCHEMBL4906255 0.79 ADORA1 (0.47) CTSSCTSKADORA1KMT2AMEN1
SCHEMBL4909018 0.77 ADORA1 (0.56) CTSSCTSKADORA1ADORA2AACHE
SCHEMBL4907216 0.76 ALDH1A1 (0.46) CTSSCTSKADORA1KMT2AMEN1
SCHEMBL4899380 0.76 ADORA1 (0.53) CTSSCTSKADORA1CYP1A2CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF CTSS 2357/4885CTSK 2917/4885ADORA1 529/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.